methyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate

C20H24N2O4 — CID 30853271

IUPACmethyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C20H24N2O4/c1-25-19(23)7-3-2-4-13-22-20(24)17-8-10-18(11-9-17)26-15-16-6-5-12-21-14-16/h5-6,8-12,14H,2-4,7,13,15H2,1H3,(H,22,24)
InChIKeyMYLTZVWOWRNEGW-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.12
Rot. Bonds10

About methyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate

methyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate (PubChem CID 30853271) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is methyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate
PubChem CID30853271
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namemethyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C20H24N2O4/c1-25-19(23)7-3-2-4-13-22-20(24)17-8-10-18(11-9-17)26-15-16-6-5-12-21-14-16/h5-6,8-12,14H,2-4,7,13,15H2,1H3,(H,22,24)
InChIKeyMYLTZVWOWRNEGW-UHFFFAOYSA-N
XLogP3.12
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-fluorophenoxy)butyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 32645882
methyl 6-(pyridine-4-carbonylamino)hexanoate
CID 39070425
N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46590121
methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate
CID 46557017
N-(2-morpholin-4-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 47039155
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
methyl 3-[[4-[6-(4-phenylmethoxyphenoxy)hexyl]benzoyl]amino]propanoate
CID 67485483
methyl 7-[(4-acetylbenzoyl)amino]heptanoate
CID 163207825
N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 166190877
4-(pyridin-3-ylmethoxy)benzoate
CID 40981209
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39697713

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate?
The IUPAC name of methyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate (CID 30853271) is methyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate.
What is the SMILES notation for methyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate?
The canonical SMILES for methyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate is COC(=O)CCCCCNC(=O)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of methyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate?
The InChIKey is MYLTZVWOWRNEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-25-19(23)7-3-2-4-13-22-20(24)17-8-10-18(11-9-17)26-15-16-6-5-12-21-14-16/h5-6,8-12,14H,2-4,7,13,15H2,1H3,(H,22,24).
What are the key properties of methyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate?
methyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate has a molecular weight of 356.42 g/mol, XLogP of 3.12, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate is sourced from PubChem (CID 30853271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).